ethyl 2-methyl-5-[2-(phenylcarbamothioylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[2-(phenylcarbamothioylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-(phenylcarbamothioylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate CAS Name: 5-[2-[[anilino(sulfanylidene)methyl]amino]ethylthio]-2-methyl-3-imidazo[1,2-a]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-(phenylcarbamothioylamino)ethylsulfanyl]imidazo[1,2-a]pyridine-3-carboxylate Traditional Name: 2-methyl-5-[2-(phenylthiocarbamoylamino)ethylthio]imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2N1C(=CC=C2)SCCNC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2N1C(=CC=C2)SCCNC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H22N4O2S2/c1-3-26-19(25)18-14(2)22-16-10-7-11-17(24(16)18)28-13-12-21-20(27)23-15-8-5-4-6-9-15/h4-11H,3,12-13H2,1-2H3,(H2,21,23,27)